Molecule

ID:129589

General Information
Structure
MolImage
Molecular Formula
C₂₉H₂₅N₃
Molecular Mass
415.5289
Exact Mass
415.20484782
Charge
0
InChI
InChI=1S/C29H25N3/c1-4-12-22(13-5-1)25(23-14-6-2-7-15-23)20-21-30-29-26-18-10-11-19-27(26)31-28(32-29)24-16-8-3-9-17-24/h1-19,25H,20-21H2,(H,30,31,32)
InChIKey
HQPGYRVHOIKOIE-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1nc(NCCC(c2ccccc2)c2ccccc2)c2c(n1)cccc2
Isomeric Smiles
c1ccccc1C(c1ccccc1)CCNc1nc(c2ccccc2)nc2c1cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
7.720848
LogD (pH = 7.4)
7.852522
Log P
7.854491
Molar Refractivity
143.3311
Polarizability
52.329754
Polar Surface Area
37.81
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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